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Chemical ID: 7265924
Chemical ID:
7265924
Name [?]:
N-(4-benzyloxyphenyl)-3-methyl-2-ureido-butanamide
SMILES [?]:
CC(C)C(C(=O)Nc1ccc(cc1)OCc2ccccc2)NC(=O)N
InChi [?]:
InChI=1/C19H23N3O3/c1-13(2)17(22-19(20)24)18(23)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H3,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,17,21,9,13,10,12,15,2,16,8,11,4,5,23,25,7,22,6,24,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:25cCCCCCONCCCCCCOCCCCCCCNCON/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s4;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O3 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1502 |
Area: | 571.131 |
Solvation: | -4.12807 |
Coulombic: | -69.1013 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.404 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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